1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine

C8H17NO2S — CID 130699488

IUPAC1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine
SMILESCCC(N)C1CCS(=O)(=O)C1C
InChIInChI=1S/C8H17NO2S/c1-3-8(9)7-4-5-12(10,11)6(7)2/h6-8H,3-5,9H2,1-2H3
InChIKeyZKCWKTQMEKDWEP-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.55
Rot. Bonds2

About 1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine

1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine (PubChem CID 130699488) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine
PubChem CID130699488
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine
SMILESCCC(N)C1CCS(=O)(=O)C1C
InChIInChI=1S/C8H17NO2S/c1-3-8(9)7-4-5-12(10,11)6(7)2/h6-8H,3-5,9H2,1-2H3
InChIKeyZKCWKTQMEKDWEP-UHFFFAOYSA-N
XLogP0.55
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine
CID 130624611
2-hydroxy-2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid
CID 130632540
1-(2-methylcyclohexyl)propan-1-amine
CID 79307565
(2R,3R)-2-methyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine
CID 167913931
N'-(2-methyl-1,1-dioxothiolan-3-yl)propanimidamide
CID 130614935
(2R,3R)-3-methoxy-2-methylthiolane 1,1-dioxide
CID 54103725
N-(2-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 130676489
2-(2-methyl-1,1-dioxothiolan-3-yl)acetic acid
CID 82402699
1-(1,1-dioxothian-4-yl)butan-1-amine
CID 83048118
4-(1-aminopropyl)cyclohexan-1-one
CID 116941905
4-(1-aminopropyl)oxolan-3-ol
CID 55288646
1-(1,1-dioxothian-2-yl)-3-ethylheptan-1-amine
CID 115806090

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine?
The IUPAC name of 1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine (CID 130699488) is 1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine.
What is the SMILES notation for 1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine?
The canonical SMILES for 1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine is CCC(N)C1CCS(=O)(=O)C1C.
What is the InChIKey of 1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine?
The InChIKey is ZKCWKTQMEKDWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-8(9)7-4-5-12(10,11)6(7)2/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine?
1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,1-dioxothiolan-3-yl)propan-1-amine is sourced from PubChem (CID 130699488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).